ID: 123691
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(OC(C)=O)c3C1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -17.482
InChIKey:DUMWBUSQVQABPR-UHFFFAOYSA-N
ID: 123692
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(OC)c3C1C1C(OC)C=C(COC(=O)C(C)CC)C1C=C2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 538.769
CB1 binding score: -15.068
InChIKey:VOTRQESGULVMSK-UHFFFAOYSA-N
ID: 123693
SMILES:C(CCC1(C)Oc2cc(C)cc(O)c2C=C1)(CC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -14.776
InChIKey:QZDCGXDDNFAXBD-UHFFFAOYSA-N
ID: 123694
SMILES:C1(=O)C=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -18.452
InChIKey:LPQMFAVBXYKLOA-UHFFFAOYSA-N
ID: 123695
SMILES:CC1(C)C2(CC=C(C)CC2)c2c(cc(CCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.608
InChIKey:QATZCQMZABAYOF-UHFFFAOYSA-N
ID: 123696
SMILES:C12C(C(C)(C)Oc3cc(CCC)cc(O)c31)C(O)CC(=C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.338
InChIKey:YQHIYFPZLCGIAL-UHFFFAOYSA-N
ID: 123697
SMILES:C1C=C(C)CC2c3c(cc(CCCCC)cc3OC2(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -14.714
InChIKey:FKOAXUMFCUNOEY-UHFFFAOYSA-N
ID: 123698
SMILES:C(Oc1ccc(OC(=O)C)cc1C1C=C(C)CCC1C(C)=C)(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -15.098
InChIKey:VYGSEYGDUGSPPR-UHFFFAOYSA-N
ID: 123699
SMILES:CC(=O)CC12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CC(O)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -14.273
InChIKey:KHBOOPFMXMJQFV-UHFFFAOYSA-N
ID: 123700
SMILES:C(CC)CCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 123701
SMILES:CC1(C)Oc2c(c(O)cc(C)c2)C2CC(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.804
InChIKey:NJEVKSYKELTXNY-UHFFFAOYSA-N
ID: 123702
SMILES:C1C(C)=CC(c2c(O)ccc(CCN(C)C)c2)C(C(=C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 299.458
CB1 binding score: -17.957
InChIKey:JVTBDUWWCYUSCG-UHFFFAOYSA-N
ID: 123703
SMILES:C1(C)=CC(c2c(O)cc(CCCC)cc2O)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -14.369
InChIKey:XYNNAHNEFGWSRT-UHFFFAOYSA-N
ID: 123704
SMILES:CC12CCC=C(C)C1C(C=C(C)C)C1CC(C)(CC=C2)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.691
CB1 binding score: -14.931
InChIKey:NNTNMFFEAMWFEU-UHFFFAOYSA-N
ID: 123705
SMILES:C(C(OCC)c1cc(C2C=C(C)CCC2C(=C)C)c(O)cc1O)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -11.096
InChIKey:RLFVZVPSPAXEFL-UHFFFAOYSA-N
ID: 123706
SMILES:c1(CCCCC)c(C(O)=O)c(O)cc(CC=C(C)CCC=C(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.991
InChIKey:OKTJCFKETUQTOK-UHFFFAOYSA-N
ID: 123707
SMILES:c1(O)c(C=O)c2c(c(O)c1C)C1CC(C)C(=O)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -15.927
InChIKey:HMJGNHPHAGYADP-UHFFFAOYSA-N
ID: 123708
SMILES:c1(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCCC)c(CCO)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.565
CB1 binding score: -15.929
InChIKey:AGROSDNWDNPBTO-UHFFFAOYSA-N
ID: 123709
SMILES:C1CC(C)(C)c2c(O)cc(CCCCC)cc2OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.447
CB1 binding score: -13.887
InChIKey:WLHZRWKPXJIMKL-UHFFFAOYSA-N
ID: 123710
SMILES:CC(C(O)=O)CCCC(C)=CCc1c(O)c(C(OC)=O)c(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.519
CB1 binding score: -15.762
InChIKey:WZMFYLZTYGGNLJ-UHFFFAOYSA-N
ID: 123711
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)=CC=CCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -17.532
InChIKey:CRYRGIMXSGZEEB-UHFFFAOYSA-N